2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

C19H21N7 — CID 122098078

IUPAC2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESN/C(=N\Cc1nc(-c2ccccn2)n[nH]1)Nc1cccc2c1CCCC2
InChIInChI=1S/C19H21N7/c20-19(23-15-10-5-7-13-6-1-2-8-14(13)15)22-12-17-24-18(26-25-17)16-9-3-4-11-21-16/h3-5,7,9-11H,1-2,6,8,12H2,(H3,20,22,23)(H,24,25,26)
InChIKeyXWKXNXTZYKAKJL-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.67
Rot. Bonds4

About 2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (PubChem CID 122098078) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
PubChem CID122098078
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESN/C(=N\Cc1nc(-c2ccccn2)n[nH]1)Nc1cccc2c1CCCC2
InChIInChI=1S/C19H21N7/c20-19(23-15-10-5-7-13-6-1-2-8-14(13)15)22-12-17-24-18(26-25-17)16-9-3-4-11-21-16/h3-5,7,9-11H,1-2,6,8,12H2,(H3,20,22,23)(H,24,25,26)
InChIKeyXWKXNXTZYKAKJL-UHFFFAOYSA-N
XLogP2.67
TPSA104.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.67
H-Bond Donors ≤ 53
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

2-(quinolin-8-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721553
2-(isoquinolin-1-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720826
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1,3-thiazol-2-ylmethyl)guanidine
CID 119142337
2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 119145911
2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142274
2-[(2,6-dimethyl-4-pyridinyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 122101566
2-[(4-ethyl-2-pyridinyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 120671939
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720763
2-[[4-(dimethylamino)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720749
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721400
2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 120913703

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The IUPAC name of 2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (CID 122098078) is 2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.
What is the SMILES notation for 2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The canonical SMILES for 2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is N/C(=N\Cc1nc(-c2ccccn2)n[nH]1)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The InChIKey is XWKXNXTZYKAKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c20-19(23-15-10-5-7-13-6-1-2-8-14(13)15)22-12-17-24-18(26-25-17)16-9-3-4-11-21-16/h3-5,7,9-11H,1-2,6,8,12H2,(H3,20,22,23)(H,24,25,26).
What are the key properties of 2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine has a molecular weight of 347.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is sourced from PubChem (CID 122098078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).