2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide

C11H21IN6 — CID 120762688

IUPAC2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide
SMILESCC(C)(C)n1ncnc1C/N=C(\N)NC1CC1.I
InChIInChI=1S/C11H20N6.HI/c1-11(2,3)17-9(14-7-15-17)6-13-10(12)16-8-4-5-8;/h7-8H,4-6H2,1-3H3,(H3,12,13,16);1H
InChIKeyUGQRNACAWFDSIJ-UHFFFAOYSA-N
MW364.24 g/mol
LogP1.22
Rot. Bonds3

About 2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide

2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide (PubChem CID 120762688) has the molecular formula C11H21IN6 and a molecular weight of 364.24 g/mol. Its IUPAC name is 2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide
PubChem CID120762688
Molecular FormulaC11H21IN6
Molecular Weight364.24 g/mol
Exact Mass364.09
IUPAC Name2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide
SMILESCC(C)(C)n1ncnc1C/N=C(\N)NC1CC1.I
InChIInChI=1S/C11H20N6.HI/c1-11(2,3)17-9(14-7-15-17)6-13-10(12)16-8-4-5-8;/h7-8H,4-6H2,1-3H3,(H3,12,13,16);1H
InChIKeyUGQRNACAWFDSIJ-UHFFFAOYSA-N
XLogP1.22
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 51.22
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 107447429
N'-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120762698
1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119121482
1-cyclopentyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119148112
1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide
CID 119147427
2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-(3-chloro-4-methoxyphenyl)guanidine
CID 120762645
N'-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-(4-chlorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 120762630
1-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 120603117
1-cyclopropyl-2-(pyridin-4-ylmethyl)guanidine
CID 62362184
1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 119147857
2-[(4-tert-butylphenyl)methyl]-1-cyclohexylguanidine;hydrochloride
CID 14853437
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 110916460

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide?
The IUPAC name of 2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide (CID 120762688) is 2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide.
What is the SMILES notation for 2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide?
The canonical SMILES for 2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide is CC(C)(C)n1ncnc1C/N=C(\N)NC1CC1.I.
What is the InChIKey of 2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide?
The InChIKey is UGQRNACAWFDSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6.HI/c1-11(2,3)17-9(14-7-15-17)6-13-10(12)16-8-4-5-8;/h7-8H,4-6H2,1-3H3,(H3,12,13,16);1H.
What are the key properties of 2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide?
2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide has a molecular weight of 364.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide is sourced from PubChem (CID 120762688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).