N-methyl-2-(tetrazol-1-yl)ethanamine

C4H9N5 — CID 54382046

IUPACN-methyl-2-(tetrazol-1-yl)ethanamine
SMILESCNCCn1cnnn1
InChIInChI=1S/C4H9N5/c1-5-2-3-9-4-6-7-8-9/h4-5H,2-3H2,1H3
InChIKeyBQASZTKOYDCXCM-UHFFFAOYSA-N
MW127.15 g/mol
LogP-1.11
Rot. Bonds3

About N-methyl-2-(tetrazol-1-yl)ethanamine

N-methyl-2-(tetrazol-1-yl)ethanamine (PubChem CID 54382046) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is N-methyl-2-(tetrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(tetrazol-1-yl)ethanamine
PubChem CID54382046
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC NameN-methyl-2-(tetrazol-1-yl)ethanamine
SMILESCNCCn1cnnn1
InChIInChI=1S/C4H9N5/c1-5-2-3-9-4-6-7-8-9/h4-5H,2-3H2,1H3
InChIKeyBQASZTKOYDCXCM-UHFFFAOYSA-N
XLogP-1.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-1,2,4-Triazole-1-ethanamine
CID 3039957
2-(1H-1,2,4-triazol-1-yl)ethan-1-amine hydrochloride
CID 50988733
1-[2-(Dimethylazaniumyl)ethyl]-1H-1,2,3,4-tetrazole-5-thiolate
CID 28819599
1-Ethyl-5-(ethylamino)-1H-tetrazole hydrochloride
CID 3031928
2-(1H-1,2,3,4-tetrazol-1-yl)ethan-1-amine hydrochloride
CID 71756171
methyl[2-(4H-1,2,4-triazol-4-yl)ethyl]amine dihydrochloride
CID 137838562
3-(1H-1,2,3,4-tetrazol-1-yl)propan-1-amine hydrochloride
CID 137951227
1-(azetidin-3-yl)-1H-1,2,3,4-tetrazole hydrochloride
CID 165823027
N,N-dimethyl-2-(tetrazol-1-yl)ethanamine
CID 13145995
1H-Tetrazole-1-butanamine
CID 55284078
3-(1H-1,2,3,4-tetrazol-1-yl)propan-1-amine
CID 21843637
2-(1H-tetrazol-1-yl)ethanamine
CID 22639490

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(tetrazol-1-yl)ethanamine?
The IUPAC name of N-methyl-2-(tetrazol-1-yl)ethanamine (CID 54382046) is N-methyl-2-(tetrazol-1-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(tetrazol-1-yl)ethanamine?
The canonical SMILES for N-methyl-2-(tetrazol-1-yl)ethanamine is CNCCn1cnnn1.
What is the InChIKey of N-methyl-2-(tetrazol-1-yl)ethanamine?
The InChIKey is BQASZTKOYDCXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c1-5-2-3-9-4-6-7-8-9/h4-5H,2-3H2,1H3.
What are the key properties of N-methyl-2-(tetrazol-1-yl)ethanamine?
N-methyl-2-(tetrazol-1-yl)ethanamine has a molecular weight of 127.15 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(tetrazol-1-yl)ethanamine is sourced from PubChem (CID 54382046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).