N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine

C10H17N5 — CID 106302736

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCn1cnnc1CNC1=NCCCC1
InChIInChI=1S/C10H17N5/c1-2-15-8-13-14-10(15)7-12-9-5-3-4-6-11-9/h8H,2-7H2,1H3,(H,11,12)
InChIKeyPPFGVKZXCMVIGO-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.97
Rot. Bonds3

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 106302736) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID106302736
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCn1cnnc1CNC1=NCCCC1
InChIInChI=1S/C10H17N5/c1-2-15-8-13-14-10(15)7-12-9-5-3-4-6-11-9/h8H,2-7H2,1H3,(H,11,12)
InChIKeyPPFGVKZXCMVIGO-UHFFFAOYSA-N
XLogP0.97
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970066
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 106303380
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 113231446
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylbenzene-1,3-diamine
CID 106302029
3-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62691967
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106302763
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 112668996
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpyrimidine-4,6-diamine
CID 106304567
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 106304442
N-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 67553216
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine
CID 115688865

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 106302736) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine is CCn1cnnc1CNC1=NCCCC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is PPFGVKZXCMVIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-2-15-8-13-14-10(15)7-12-9-5-3-4-6-11-9/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 207.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 106302736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).