5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine

C10H19N5 — CID 83884674

IUPAC5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)Nc1nnc(CCN)n1C1CC1
InChIInChI=1S/C10H19N5/c1-7(2)12-10-14-13-9(5-6-11)15(10)8-3-4-8/h7-8H,3-6,11H2,1-2H3,(H,12,14)
InChIKeyQMVMJLLPAYYTBD-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.93
Rot. Bonds5

About 5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine

5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 83884674) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID83884674
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)Nc1nnc(CCN)n1C1CC1
InChIInChI=1S/C10H19N5/c1-7(2)12-10-14-13-9(5-6-11)15(10)8-3-4-8/h7-8H,3-6,11H2,1-2H3,(H,12,14)
InChIKeyQMVMJLLPAYYTBD-UHFFFAOYSA-N
XLogP0.93
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine (CID 83884674) is 5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine is CC(C)Nc1nnc(CCN)n1C1CC1.
What is the InChIKey of 5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is QMVMJLLPAYYTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-7(2)12-10-14-13-9(5-6-11)15(10)8-3-4-8/h7-8H,3-6,11H2,1-2H3,(H,12,14).
What are the key properties of 5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine?
5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 209.30 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 83884674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).