N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine

C10H10N6S — CID 113345406

IUPACN-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCn1cnc(CNc2ncnc3ccsc23)n1
InChIInChI=1S/C10H10N6S/c1-16-6-14-8(15-16)4-11-10-9-7(2-3-17-9)12-5-13-10/h2-3,5-6H,4H2,1H3,(H,11,12,13)
InChIKeyMQGHPKSUROCVOA-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.43
Rot. Bonds3

About N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 113345406) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID113345406
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCn1cnc(CNc2ncnc3ccsc23)n1
InChIInChI=1S/C10H10N6S/c1-16-6-14-8(15-16)4-11-10-9-7(2-3-17-9)12-5-13-10/h2-3,5-6H,4H2,1H3,(H,11,12,13)
InChIKeyMQGHPKSUROCVOA-UHFFFAOYSA-N
XLogP1.43
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 63330100
N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 43236117
2-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]phenol
CID 113228774
N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 43236110
N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 115599545
2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol
CID 58265115
N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663575
N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 61000868
6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 103883732
2-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136723564
N-(4-chloro-2,2-dimethylbutyl)thieno[3,2-d]pyrimidin-4-amine
CID 106141678
N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine
CID 79003294

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine (CID 113345406) is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine is Cn1cnc(CNc2ncnc3ccsc23)n1.
What is the InChIKey of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is MQGHPKSUROCVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1-16-6-14-8(15-16)4-11-10-9-7(2-3-17-9)12-5-13-10/h2-3,5-6H,4H2,1H3,(H,11,12,13).
What are the key properties of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 246.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 113345406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).