N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine

C12H21N5O — CID 112944274

IUPACN-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
SMILESCC(C)CCNc1cnnc(N2CCOCC2)n1
InChIInChI=1S/C12H21N5O/c1-10(2)3-4-13-11-9-14-16-12(15-11)17-5-7-18-8-6-17/h9-10H,3-8H2,1-2H3,(H,13,15,16)
InChIKeyRDZFCWQYRZEIDO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.17
Rot. Bonds5

About N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine

N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine (PubChem CID 112944274) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
PubChem CID112944274
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
SMILESCC(C)CCNc1cnnc(N2CCOCC2)n1
InChIInChI=1S/C12H21N5O/c1-10(2)3-4-13-11-9-14-16-12(15-11)17-5-7-18-8-6-17/h9-10H,3-8H2,1-2H3,(H,13,15,16)
InChIKeyRDZFCWQYRZEIDO-UHFFFAOYSA-N
XLogP1.17
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942066
N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957940
3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112955377
3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112959555
furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone
CID 112957796
N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 112944290
4-hydrazinyl-N-(3-methylbutyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80931558
N-(2,5-dimethylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298428
3-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-5-amine
CID 112938300
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 112944751
4-[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112944713

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine (CID 112944274) is N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine is CC(C)CCNc1cnnc(N2CCOCC2)n1.
What is the InChIKey of N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine?
The InChIKey is RDZFCWQYRZEIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10(2)3-4-13-11-9-14-16-12(15-11)17-5-7-18-8-6-17/h9-10H,3-8H2,1-2H3,(H,13,15,16).
What are the key properties of N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine?
N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine has a molecular weight of 251.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112944274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).