N-methyl-2-(2H-tetrazol-5-yl)propan-1-amine

C5H11N5 — CID 54477710

IUPACN-methyl-2-(2H-tetrazol-5-yl)propan-1-amine
SMILESCNCC(C)c1nn[nH]n1
InChIInChI=1S/C5H11N5/c1-4(3-6-2)5-7-9-10-8-5/h4,6H,3H2,1-2H3,(H,7,8,9,10)
InChIKeyXMTJFRYXPUJCAV-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.48
Rot. Bonds3

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

N-methyl-2-(2H-tetrazol-5-yl)propan-1-amine (PubChem CID 54477710) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is N-methyl-2-(2H-tetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2H-tetrazol-5-yl)propan-1-amine
PubChem CID54477710
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC NameN-methyl-2-(2H-tetrazol-5-yl)propan-1-amine
SMILESCNCC(C)c1nn[nH]n1
InChIInChI=1S/C5H11N5/c1-4(3-6-2)5-7-9-10-8-5/h4,6H,3H2,1-2H3,(H,7,8,9,10)
InChIKeyXMTJFRYXPUJCAV-UHFFFAOYSA-N
XLogP-0.48
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2H-tetrazol-5-yl)propan-1-amine?
The IUPAC name of N-methyl-2-(2H-tetrazol-5-yl)propan-1-amine (CID 54477710) is N-methyl-2-(2H-tetrazol-5-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-(2H-tetrazol-5-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-(2H-tetrazol-5-yl)propan-1-amine is CNCC(C)c1nn[nH]n1.
What is the InChIKey of N-methyl-2-(2H-tetrazol-5-yl)propan-1-amine?
The InChIKey is XMTJFRYXPUJCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-4(3-6-2)5-7-9-10-8-5/h4,6H,3H2,1-2H3,(H,7,8,9,10).
What are the key properties of N-methyl-2-(2H-tetrazol-5-yl)propan-1-amine?
N-methyl-2-(2H-tetrazol-5-yl)propan-1-amine has a molecular weight of 141.18 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2H-tetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 54477710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).