N-[(1-methylimidazol-2-yl)methyl]-2H-tetrazol-5-amine

C6H9N7 — CID 130651477

IUPACN-[(1-methylimidazol-2-yl)methyl]-2H-tetrazol-5-amine
SMILESCn1ccnc1CNc1nn[nH]n1
InChIInChI=1S/C6H9N7/c1-13-3-2-7-5(13)4-8-6-9-11-12-10-6/h2-3H,4H2,1H3,(H2,8,9,10,11,12)
InChIKeyONVRWHCUKSQSEL-UHFFFAOYSA-N
MW179.19 g/mol
LogP-0.45
Rot. Bonds3

About N-[(1-methylimidazol-2-yl)methyl]-2H-tetrazol-5-amine

N-[(1-methylimidazol-2-yl)methyl]-2H-tetrazol-5-amine (PubChem CID 130651477) has the molecular formula C6H9N7 and a molecular weight of 179.19 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2H-tetrazol-5-amine
PubChem CID130651477
Molecular FormulaC6H9N7
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2H-tetrazol-5-amine
SMILESCn1ccnc1CNc1nn[nH]n1
InChIInChI=1S/C6H9N7/c1-13-3-2-7-5(13)4-8-6-9-11-12-10-6/h2-3H,4H2,1H3,(H2,8,9,10,11,12)
InChIKeyONVRWHCUKSQSEL-UHFFFAOYSA-N
XLogP-0.45
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2H-tetrazol-5-amine (CID 130651477) is N-[(1-methylimidazol-2-yl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2H-tetrazol-5-amine is Cn1ccnc1CNc1nn[nH]n1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2H-tetrazol-5-amine?
The InChIKey is ONVRWHCUKSQSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7/c1-13-3-2-7-5(13)4-8-6-9-11-12-10-6/h2-3H,4H2,1H3,(H2,8,9,10,11,12).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2H-tetrazol-5-amine?
N-[(1-methylimidazol-2-yl)methyl]-2H-tetrazol-5-amine has a molecular weight of 179.19 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 130651477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).