(2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride

C8H17ClN4 — CID 170534885

IUPAC(2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride
SMILESCC(C)C[C@H](N)Cn1ccnn1.Cl
InChIInChI=1S/C8H16N4.ClH/c1-7(2)5-8(9)6-12-4-3-10-11-12;/h3-4,7-8H,5-6,9H2,1-2H3;1H/t8-;/m0./s1
InChIKeyBKLVHDJAGMRPQV-QRPNPIFTSA-N
MW204.71 g/mol
LogP1.07
Rot. Bonds4

About (2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride

(2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride (PubChem CID 170534885) has the molecular formula C8H17ClN4 and a molecular weight of 204.71 g/mol. Its IUPAC name is (2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride
PubChem CID170534885
Molecular FormulaC8H17ClN4
Molecular Weight204.71 g/mol
Exact Mass204.11
IUPAC Name(2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride
SMILESCC(C)C[C@H](N)Cn1ccnn1.Cl
InChIInChI=1S/C8H16N4.ClH/c1-7(2)5-8(9)6-12-4-3-10-11-12;/h3-4,7-8H,5-6,9H2,1-2H3;1H/t8-;/m0./s1
InChIKeyBKLVHDJAGMRPQV-QRPNPIFTSA-N
XLogP1.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.71
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride?
The IUPAC name of (2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride (CID 170534885) is (2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride?
The canonical SMILES for (2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride is CC(C)C[C@H](N)Cn1ccnn1.Cl.
What is the InChIKey of (2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride?
The InChIKey is BKLVHDJAGMRPQV-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H16N4.ClH/c1-7(2)5-8(9)6-12-4-3-10-11-12;/h3-4,7-8H,5-6,9H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of (2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride?
(2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride has a molecular weight of 204.71 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-(triazol-1-yl)pentan-2-amine;hydrochloride is sourced from PubChem (CID 170534885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).