(1S)-1-(1-methyltetrazol-5-yl)propan-1-amine

C5H11N5 — CID 59036874

IUPAC(1S)-1-(1-methyltetrazol-5-yl)propan-1-amine
SMILESCC[C@H](N)c1nnnn1C
InChIInChI=1S/C5H11N5/c1-3-4(6)5-7-8-9-10(5)2/h4H,3,6H2,1-2H3/t4-/m0/s1
InChIKeyCFOHTYSTRRGZOL-BYPYZUCNSA-N
MW141.18 g/mol
LogP-0.38
Rot. Bonds2

About (1S)-1-(1-methyltetrazol-5-yl)propan-1-amine

(1S)-1-(1-methyltetrazol-5-yl)propan-1-amine (PubChem CID 59036874) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is (1S)-1-(1-methyltetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(1-methyltetrazol-5-yl)propan-1-amine
PubChem CID59036874
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name(1S)-1-(1-methyltetrazol-5-yl)propan-1-amine
SMILESCC[C@H](N)c1nnnn1C
InChIInChI=1S/C5H11N5/c1-3-4(6)5-7-8-9-10(5)2/h4H,3,6H2,1-2H3/t4-/m0/s1
InChIKeyCFOHTYSTRRGZOL-BYPYZUCNSA-N
XLogP-0.38
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methyltetrazol-5-yl)pentan-3-amine
CID 63550008
2-(1-methyltetrazol-5-yl)butan-1-amine
CID 83635435
3-amino-3-(1-methyltetrazol-5-yl)propanoic acid
CID 84653997
1-(1-methyltetrazol-5-yl)ethanamine
CID 75355753
5-(2-chloropentan-3-yl)-1-methyltetrazole
CID 63202888
(1R)-1-(1-methyltetrazol-5-yl)ethanol
CID 93497611
2-(1-methyltetrazol-5-yl)pentan-3-one
CID 63550163
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 45490077
3-(1-methyltetrazol-5-yl)butan-2-ol
CID 63204940
5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597041
(1R)-1-[5-(1-methyltetrazol-5-yl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938080
4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine
CID 63197289

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methyltetrazol-5-yl)propan-1-amine?
The IUPAC name of (1S)-1-(1-methyltetrazol-5-yl)propan-1-amine (CID 59036874) is (1S)-1-(1-methyltetrazol-5-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(1-methyltetrazol-5-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(1-methyltetrazol-5-yl)propan-1-amine is CC[C@H](N)c1nnnn1C.
What is the InChIKey of (1S)-1-(1-methyltetrazol-5-yl)propan-1-amine?
The InChIKey is CFOHTYSTRRGZOL-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11N5/c1-3-4(6)5-7-8-9-10(5)2/h4H,3,6H2,1-2H3/t4-/m0/s1.
What are the key properties of (1S)-1-(1-methyltetrazol-5-yl)propan-1-amine?
(1S)-1-(1-methyltetrazol-5-yl)propan-1-amine has a molecular weight of 141.18 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methyltetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 59036874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).