1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine

C12H22N4 — CID 164639495

IUPAC1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine
SMILESCCn1nncc1CNC[C@@]1(C)CC1(C)C
InChIInChI=1S/C12H22N4/c1-5-16-10(7-14-15-16)6-13-9-12(4)8-11(12,2)3/h7,13H,5-6,8-9H2,1-4H3/t12-/m1/s1
InChIKeyVRJGADAYLPIBGQ-GFCCVEGCSA-N
MW222.34 g/mol
LogP1.82
Rot. Bonds5

About 1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine

1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine (PubChem CID 164639495) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine
PubChem CID164639495
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine
SMILESCCn1nncc1CNC[C@@]1(C)CC1(C)C
InChIInChI=1S/C12H22N4/c1-5-16-10(7-14-15-16)6-13-9-12(4)8-11(12,2)3/h7,13H,5-6,8-9H2,1-4H3/t12-/m1/s1
InChIKeyVRJGADAYLPIBGQ-GFCCVEGCSA-N
XLogP1.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine?
The IUPAC name of 1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine (CID 164639495) is 1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine.
What is the SMILES notation for 1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine?
The canonical SMILES for 1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine is CCn1nncc1CNC[C@@]1(C)CC1(C)C.
What is the InChIKey of 1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine?
The InChIKey is VRJGADAYLPIBGQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-16-10(7-14-15-16)6-13-9-12(4)8-11(12,2)3/h7,13H,5-6,8-9H2,1-4H3/t12-/m1/s1.
What are the key properties of 1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine?
1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine is sourced from PubChem (CID 164639495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).