(1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine

C8H16N4 — CID 130567529

IUPAC(1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine
SMILESCCC(C)n1cc([C@H](C)N)nn1
InChIInChI=1S/C8H16N4/c1-4-6(2)12-5-8(7(3)9)10-11-12/h5-7H,4,9H2,1-3H3/t6?,7-/m0/s1
InChIKeyFNUPPXOLNCIPRS-MLWJPKLSSA-N
MW168.24 g/mol
LogP1.27
Rot. Bonds3

About (1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine

(1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine (PubChem CID 130567529) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine
PubChem CID130567529
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name(1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine
SMILESCCC(C)n1cc([C@H](C)N)nn1
InChIInChI=1S/C8H16N4/c1-4-6(2)12-5-8(7(3)9)10-11-12/h5-7H,4,9H2,1-3H3/t6?,7-/m0/s1
InChIKeyFNUPPXOLNCIPRS-MLWJPKLSSA-N
XLogP1.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yltriazol-4-amine
CID 79530660
1-butan-2-yl-4-ethyltriazole
CID 138568192
1-(1-pentan-2-yltriazol-4-yl)propan-1-ol
CID 107886610
1-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114420023
1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine
CID 66194250
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 114419809
2-[4-(1-bromoethyl)triazol-1-yl]propan-1-ol
CID 130567121
1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol
CID 114419408
3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol
CID 165467846
3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
CID 114419828
4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114419575

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine?
The IUPAC name of (1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine (CID 130567529) is (1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine.
What is the SMILES notation for (1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine?
The canonical SMILES for (1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine is CCC(C)n1cc([C@H](C)N)nn1.
What is the InChIKey of (1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine?
The InChIKey is FNUPPXOLNCIPRS-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-6(2)12-5-8(7(3)9)10-11-12/h5-7H,4,9H2,1-3H3/t6?,7-/m0/s1.
What are the key properties of (1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine?
(1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine has a molecular weight of 168.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine is sourced from PubChem (CID 130567529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).