1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine

C7H11N7 — CID 66117922

IUPAC1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
SMILESCn1cncc1CNCc1nn[nH]n1
InChIInChI=1S/C7H11N7/c1-14-5-9-3-6(14)2-8-4-7-10-12-13-11-7/h3,5,8H,2,4H2,1H3,(H,10,11,12,13)
InChIKeyCXQFHFPMKMZYIH-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.78
Rot. Bonds4

About 1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine

1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine (PubChem CID 66117922) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
PubChem CID66117922
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
SMILESCn1cncc1CNCc1nn[nH]n1
InChIInChI=1S/C7H11N7/c1-14-5-9-3-6(14)2-8-4-7-10-12-13-11-7/h3,5,8H,2,4H2,1H3,(H,10,11,12,13)
InChIKeyCXQFHFPMKMZYIH-UHFFFAOYSA-N
XLogP-0.78
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine (CID 66117922) is 1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine is Cn1cncc1CNCc1nn[nH]n1.
What is the InChIKey of 1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
The InChIKey is CXQFHFPMKMZYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c1-14-5-9-3-6(14)2-8-4-7-10-12-13-11-7/h3,5,8H,2,4H2,1H3,(H,10,11,12,13).
What are the key properties of 1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine has a molecular weight of 193.21 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 66117922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).