N-(2H-tetrazol-5-ylmethyl)propan-2-amine

C5H11N5 — CID 58430929

IUPACN-(2H-tetrazol-5-ylmethyl)propan-2-amine
SMILESCC(C)NCc1nn[nH]n1
InChIInChI=1S/C5H11N5/c1-4(2)6-3-5-7-9-10-8-5/h4,6H,3H2,1-2H3,(H,7,8,9,10)
InChIKeyZKDPASQUVSIICD-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.30
Rot. Bonds3

About N-(2H-tetrazol-5-ylmethyl)propan-2-amine

N-(2H-tetrazol-5-ylmethyl)propan-2-amine (PubChem CID 58430929) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)propan-2-amine
PubChem CID58430929
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC NameN-(2H-tetrazol-5-ylmethyl)propan-2-amine
SMILESCC(C)NCc1nn[nH]n1
InChIInChI=1S/C5H11N5/c1-4(2)6-3-5-7-9-10-8-5/h4,6H,3H2,1-2H3,(H,7,8,9,10)
InChIKeyZKDPASQUVSIICD-UHFFFAOYSA-N
XLogP-0.30
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 ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)propan-2-amine?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)propan-2-amine (CID 58430929) is N-(2H-tetrazol-5-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)propan-2-amine?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)propan-2-amine is CC(C)NCc1nn[nH]n1.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)propan-2-amine?
The InChIKey is ZKDPASQUVSIICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-4(2)6-3-5-7-9-10-8-5/h4,6H,3H2,1-2H3,(H,7,8,9,10).
What are the key properties of N-(2H-tetrazol-5-ylmethyl)propan-2-amine?
N-(2H-tetrazol-5-ylmethyl)propan-2-amine has a molecular weight of 141.18 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 58430929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).