1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine

C9H17N7 — CID 19866588

IUPAC1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine
SMILESN/C(=N\Cc1nn[nH]n1)NC1CCCCC1
InChIInChI=1S/C9H17N7/c10-9(11-6-8-13-15-16-14-8)12-7-4-2-1-3-5-7/h7H,1-6H2,(H3,10,11,12)(H,13,14,15,16)
InChIKeyQFNPHWAXINVMEH-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.06
Rot. Bonds3

About 1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine

1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine (PubChem CID 19866588) has the molecular formula C9H17N7 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine
PubChem CID19866588
Molecular FormulaC9H17N7
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine
SMILESN/C(=N\Cc1nn[nH]n1)NC1CCCCC1
InChIInChI=1S/C9H17N7/c10-9(11-6-8-13-15-16-14-8)12-7-4-2-1-3-5-7/h7H,1-6H2,(H3,10,11,12)(H,13,14,15,16)
InChIKeyQFNPHWAXINVMEH-UHFFFAOYSA-N
XLogP-0.06
TPSA104.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.06
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

1-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)guanidine
CID 62361360
1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 119147857
2-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-1-cycloheptylguanidine
CID 122098753
1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096466
1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
CID 119164307
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclopentyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine
CID 62369717
1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111817540
1-cyclohexyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 78931877
1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine
CID 122098192
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclohexyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111072641

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine (CID 19866588) is 1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine is N/C(=N\Cc1nn[nH]n1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine?
The InChIKey is QFNPHWAXINVMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N7/c10-9(11-6-8-13-15-16-14-8)12-7-4-2-1-3-5-7/h7H,1-6H2,(H3,10,11,12)(H,13,14,15,16).
What are the key properties of 1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine?
1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine has a molecular weight of 223.28 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine is sourced from PubChem (CID 19866588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).