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

C3H8ClN5 — CID 75480720

IUPACN-methyl-1-(2H-tetrazol-5-yl)methanamine;hydrochloride
SMILESCNCc1nn[nH]n1.Cl
InChIInChI=1S/C3H7N5.ClH/c1-4-2-3-5-7-8-6-3;/h4H,2H2,1H3,(H,5,6,7,8);1H
InChIKeyUTLLVIHNFVCXLW-UHFFFAOYSA-N
MW149.59 g/mol
LogP-0.66
Rot. Bonds2

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

N-methyl-1-(2H-tetrazol-5-yl)methanamine;hydrochloride (PubChem CID 75480720) has the molecular formula C3H8ClN5 and a molecular weight of 149.59 g/mol. Its IUPAC name is N-methyl-1-(2H-tetrazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(2H-tetrazol-5-yl)methanamine;hydrochloride
PubChem CID75480720
Molecular FormulaC3H8ClN5
Molecular Weight149.59 g/mol
Exact Mass149.05
IUPAC NameN-methyl-1-(2H-tetrazol-5-yl)methanamine;hydrochloride
SMILESCNCc1nn[nH]n1.Cl
InChIInChI=1S/C3H7N5.ClH/c1-4-2-3-5-7-8-6-3;/h4H,2H2,1H3,(H,5,6,7,8);1H
InChIKeyUTLLVIHNFVCXLW-UHFFFAOYSA-N
XLogP-0.66
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.59
LogP ≤ 5-0.66
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;hydrochloride?
The IUPAC name of N-methyl-1-(2H-tetrazol-5-yl)methanamine;hydrochloride (CID 75480720) is N-methyl-1-(2H-tetrazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(2H-tetrazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(2H-tetrazol-5-yl)methanamine;hydrochloride is CNCc1nn[nH]n1.Cl.
What is the InChIKey of N-methyl-1-(2H-tetrazol-5-yl)methanamine;hydrochloride?
The InChIKey is UTLLVIHNFVCXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5.ClH/c1-4-2-3-5-7-8-6-3;/h4H,2H2,1H3,(H,5,6,7,8);1H.
What are the key properties of N-methyl-1-(2H-tetrazol-5-yl)methanamine;hydrochloride?
N-methyl-1-(2H-tetrazol-5-yl)methanamine;hydrochloride has a molecular weight of 149.59 g/mol, XLogP of -0.66, 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;hydrochloride is sourced from PubChem (CID 75480720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).