N-propyl-1,2,4-triazol-4-amine

C5H10N4 — CID 15397097

IUPACN-propyl-1,2,4-triazol-4-amine
SMILESCCCNn1cnnc1
InChIInChI=1S/C5H10N4/c1-2-3-8-9-4-6-7-5-9/h4-5,8H,2-3H2,1H3
InChIKeyRZFJVRNJFAMIEW-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.23
Rot. Bonds3

About N-propyl-1,2,4-triazol-4-amine

N-propyl-1,2,4-triazol-4-amine (PubChem CID 15397097) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is N-propyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-propyl-1,2,4-triazol-4-amine
PubChem CID15397097
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC NameN-propyl-1,2,4-triazol-4-amine
SMILESCCCNn1cnnc1
InChIInChI=1S/C5H10N4/c1-2-3-8-9-4-6-7-5-9/h4-5,8H,2-3H2,1H3
InChIKeyRZFJVRNJFAMIEW-UHFFFAOYSA-N
XLogP0.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-2-(1,2,4-triazol-4-ylamino)propanenitrile
CID 650754
1H-1,2,4-Triazole-1-propanamine
CID 4379682
1-n-Propyl-4-amino-1,2,4-triazolium bromide
CID 68408682
1-ethyl-1-(1H-1,2,4-triazol-5-yl)hydrazine
CID 72950781
N-ethyl-1,2,4-triazol-4-amine
CID 3284710
N-propan-2-yl-1,2,4-triazol-4-amine
CID 3352461
N-Isobutyl-4H-1,2,4-triazol-4-amine
CID 3539625
1H-1,2,4-Triazole-1-butanamine
CID 4379683
1-Ethyl-1,2,4-triazol-4-ium-4-amine
CID 4655292
N-butyl-4H-1,2,4-triazol-4-amine
CID 14117888
1-Butyl-1,2,4-triazol-4-ium-4-amine
CID 14267417
N-pentyl-1,2,4-triazol-4-amine
CID 15397098

Frequently Asked Questions

What is the IUPAC name of N-propyl-1,2,4-triazol-4-amine?
The IUPAC name of N-propyl-1,2,4-triazol-4-amine (CID 15397097) is N-propyl-1,2,4-triazol-4-amine.
What is the SMILES notation for N-propyl-1,2,4-triazol-4-amine?
The canonical SMILES for N-propyl-1,2,4-triazol-4-amine is CCCNn1cnnc1.
What is the InChIKey of N-propyl-1,2,4-triazol-4-amine?
The InChIKey is RZFJVRNJFAMIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-2-3-8-9-4-6-7-5-9/h4-5,8H,2-3H2,1H3.
What are the key properties of N-propyl-1,2,4-triazol-4-amine?
N-propyl-1,2,4-triazol-4-amine has a molecular weight of 126.16 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 15397097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).