5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine

C14H21N5 — CID 107874725

IUPAC5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine
SMILESCC(C)(C)c1ccc(NCCCc2ncn[nH]2)nc1
InChIInChI=1S/C14H21N5/c1-14(2,3)11-6-7-12(16-9-11)15-8-4-5-13-17-10-18-19-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16)(H,17,18,19)
InChIKeyIMWYFDCNSIRCEL-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.54
Rot. Bonds5

About 5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine

5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine (PubChem CID 107874725) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine
PubChem CID107874725
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine
SMILESCC(C)(C)c1ccc(NCCCc2ncn[nH]2)nc1
InChIInChI=1S/C14H21N5/c1-14(2,3)11-6-7-12(16-9-11)15-8-4-5-13-17-10-18-19-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16)(H,17,18,19)
InChIKeyIMWYFDCNSIRCEL-UHFFFAOYSA-N
XLogP2.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine
CID 64529648
5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 114011601
5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol
CID 106129039
3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile
CID 103468558
methyl 6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazine-2-carboxylate
CID 66455940
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2-(trifluoromethyl)aniline
CID 64532428
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 113296729
5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210020
N-but-3-enyl-5-tert-butylpyridin-2-amine
CID 107874874
4-tert-butyl-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]benzamide
CID 122142700
6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64524954
3-amino-2,2-dimethyl-3-sulfanylidene-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64529990

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine (CID 107874725) is 5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine is CC(C)(C)c1ccc(NCCCc2ncn[nH]2)nc1.
What is the InChIKey of 5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine?
The InChIKey is IMWYFDCNSIRCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-14(2,3)11-6-7-12(16-9-11)15-8-4-5-13-17-10-18-19-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16)(H,17,18,19).
What are the key properties of 5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine?
5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine has a molecular weight of 259.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 107874725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).