4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine

C11H15N5 — CID 80689575

IUPAC4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
SMILESCc1ccnc(NCCc2ncn(C)n2)c1
InChIInChI=1S/C11H15N5/c1-9-3-5-12-11(7-9)13-6-4-10-14-8-16(2)15-10/h3,5,7-8H,4,6H2,1-2H3,(H,12,13)
InChIKeyIFHCDLBFGZLIBP-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.17
Rot. Bonds4

About 4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine

4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine (PubChem CID 80689575) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
PubChem CID80689575
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
SMILESCc1ccnc(NCCc2ncn(C)n2)c1
InChIInChI=1S/C11H15N5/c1-9-3-5-12-11(7-9)13-6-4-10-14-8-16(2)15-10/h3,5,7-8H,4,6H2,1-2H3,(H,12,13)
InChIKeyIFHCDLBFGZLIBP-UHFFFAOYSA-N
XLogP1.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile
CID 80683010
2-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 80688951
6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridazin-3-amine
CID 80689016
4-methyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzonitrile
CID 80682648
methyl 4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidine-2-carboxylate
CID 80688690
6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80950114
6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80926867
N-(4-chlorobutyl)-4-methylpyridin-2-amine
CID 106845034
4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103761486
N-[2-(4-methoxyphenyl)ethyl]-4-methylpyridin-2-amine
CID 59643127
2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 80956546
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine
CID 106577175

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine (CID 80689575) is 4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine is Cc1ccnc(NCCc2ncn(C)n2)c1.
What is the InChIKey of 4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The InChIKey is IFHCDLBFGZLIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-9-3-5-12-11(7-9)13-6-4-10-14-8-16(2)15-10/h3,5,7-8H,4,6H2,1-2H3,(H,12,13).
What are the key properties of 4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine has a molecular weight of 217.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 80689575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).