2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine

C17H24N6 — CID 111706487

IUPAC2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
SMILESC/N=C(\NCc1ncnn1C)NCC1CCCc2ccccc21
InChIInChI=1S/C17H24N6/c1-18-17(20-11-16-21-12-22-23(16)2)19-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,12,14H,5,7-8,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyDNOKRKCRGOGUED-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.60
Rot. Bonds4

About 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine

2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine (PubChem CID 111706487) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
PubChem CID111706487
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
SMILESC/N=C(\NCc1ncnn1C)NCC1CCCc2ccccc21
InChIInChI=1S/C17H24N6/c1-18-17(20-11-16-21-12-22-23(16)2)19-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,12,14H,5,7-8,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyDNOKRKCRGOGUED-UHFFFAOYSA-N
XLogP1.60
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111870531
1-(cyclopropylmethyl)-2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111707681
1-(cyclooctylmethyl)-2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111705941
2-methyl-1-propan-2-yl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111125764
2-methyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111586550
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111534265
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111375347
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111699382
1-(3-methoxypropyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 110975219
1-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111708245
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111313800
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111707730

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine (CID 111706487) is 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine is C/N=C(\NCc1ncnn1C)NCC1CCCc2ccccc21.
What is the InChIKey of 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The InChIKey is DNOKRKCRGOGUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-18-17(20-11-16-21-12-22-23(16)2)19-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,12,14H,5,7-8,10-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine has a molecular weight of 312.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine is sourced from PubChem (CID 111706487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).