N-methyl-1-(2H-tetrazol-5-yl)methanamine

C3H7N5 — CID 20577387

IUPACN-methyl-1-(2H-tetrazol-5-yl)methanamine
SMILESCNCc1nn[nH]n1
InChIInChI=1S/C3H7N5/c1-4-2-3-5-7-8-6-3/h4H,2H2,1H3,(H,5,6,7,8)
InChIKeyVRVRXSMTHQDPMY-UHFFFAOYSA-N
MW113.12 g/mol
LogP-1.08
Rot. Bonds2

About N-methyl-1-(2H-tetrazol-5-yl)methanamine

N-methyl-1-(2H-tetrazol-5-yl)methanamine (PubChem CID 20577387) has the molecular formula C3H7N5 and a molecular weight of 113.12 g/mol. Its IUPAC name is N-methyl-1-(2H-tetrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2H-tetrazol-5-yl)methanamine
PubChem CID20577387
Molecular FormulaC3H7N5
Molecular Weight113.12 g/mol
Exact Mass113.07
IUPAC NameN-methyl-1-(2H-tetrazol-5-yl)methanamine
SMILESCNCc1nn[nH]n1
InChIInChI=1S/C3H7N5/c1-4-2-3-5-7-8-6-3/h4H,2H2,1H3,(H,5,6,7,8)
InChIKeyVRVRXSMTHQDPMY-UHFFFAOYSA-N
XLogP-1.08
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2H-tetrazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(2H-tetrazol-5-yl)methanamine (CID 20577387) is N-methyl-1-(2H-tetrazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2H-tetrazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(2H-tetrazol-5-yl)methanamine is CNCc1nn[nH]n1.
What is the InChIKey of N-methyl-1-(2H-tetrazol-5-yl)methanamine?
The InChIKey is VRVRXSMTHQDPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5/c1-4-2-3-5-7-8-6-3/h4H,2H2,1H3,(H,5,6,7,8).
What are the key properties of N-methyl-1-(2H-tetrazol-5-yl)methanamine?
N-methyl-1-(2H-tetrazol-5-yl)methanamine has a molecular weight of 113.12 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2H-tetrazol-5-yl)methanamine is sourced from PubChem (CID 20577387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).