N-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine

C10H16N4 — CID 130680330

IUPACN-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCC[C@@H]1C[C@H]1Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H16N4/c1-4-8-5-9(8)12-10-11-6(2)7(3)13-14-10/h8-9H,4-5H2,1-3H3,(H,11,12,14)/t8-,9-/m1/s1
InChIKeyJWUIOGXDNANVTJ-RKDXNWHRSA-N
MW192.27 g/mol
LogP1.70
Rot. Bonds3

About N-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine

N-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 130680330) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID130680330
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC NameN-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCC[C@@H]1C[C@H]1Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H16N4/c1-4-8-5-9(8)12-10-11-6(2)7(3)13-14-10/h8-9H,4-5H2,1-3H3,(H,11,12,14)/t8-,9-/m1/s1
InChIKeyJWUIOGXDNANVTJ-RKDXNWHRSA-N
XLogP1.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine (CID 130680330) is N-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine is CC[C@@H]1C[C@H]1Nc1nnc(C)c(C)n1.
What is the InChIKey of N-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is JWUIOGXDNANVTJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16N4/c1-4-8-5-9(8)12-10-11-6(2)7(3)13-14-10/h8-9H,4-5H2,1-3H3,(H,11,12,14)/t8-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
N-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 192.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 130680330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).